Chemical ID: 7416886

c1ccc2c(c1)CC(NC2)C(=O)NC3CCCCC3
Chemical ID:
7416886
Name [?]:
N-cyclohexyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILES [?]:
c1ccc2c(c1)CC(NC2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C16H22N2O/c19-16(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-17-15/h4-7,14-15,17H,1-3,8-11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,16,18,1,2,6,3,15,19,7,10,5,4,14,8,11,9,13,12/E:(2,3)(8,9)/rA:19cCCCCCCCCNCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s8;d11;s11;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O
All Atoms:41
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.95419
Area:453.508
Solvation:-2.38352
Coulombic:-31.3651
Bond Count [?]
All:21
Single:17
Double:4
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.48
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue